Glycoside

GD128379
Name:
Cynaphyllogenin AFormula:
C37H48O10Smiles:
COC1CC(OC2CCC3(C)C(CC(OC(=O)C=Cc4ccccc4)C4(C)C(=O)CCC4C(C)=O)C(=O)C=CC3(O)C2)OC(C)C1OAglycone:
CC(=O)C1CCC(=O)C1(C)C(CC1C(=O)C=CC2(O)CC(O)CCC12C)OC(=O)C=Cc1ccccc1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.62 |
AlogP: | 4.15 | Num_rotatable_bonds: | 10 |
MolWt: | 652.78 | Num_heavy_atoms: | 47 |
TPSA: | 145.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD47570
Formula: C30H36O7
Smiles:
CC(=O)C1CCC(=O)C1(C)C(CC1C(=O)C=CC2(O)CC(O)CCC12C)OC(=O)C=Cc1ccccc1HBA: | 7 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.53 |
AlogP: | 3.61 | Num_rotatable_bonds: | 7 |
MolWt: | 508.61 | Num_heavy_atoms: | 37 |
TPSA: | 117.97 | NumAromaticRings: | 1 |